SCHEMBL3430613

SCHEMBL3430613

CCOC(=O)C1CCN(C(=O)O)CC1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17913821 0.88 MAPT (0.43) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL17028523 0.86 MAPT (0.40) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL19877231 0.82 ALDH1A1 (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL2248826 0.82 ALDH1A1 (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL2250472 0.82 ALDH1A1 (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL17028515 0.82 MAPT (0.45) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL15322838 0.79 MAPT (0.45) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL15719400 0.79 MAPT (0.45) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL700696 0.78 MAPT (0.44) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL21411461 0.76 ALDH1A1 (0.62) MAPTALDH1A1GAACYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252613-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM, LLC (BM) 2010-11-24 EP disclosed
WO-2009105717-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2009-08-27 WO disclosed